sodium 1-oxidanyl-3-phenyl-butane-1-sulfonate

Systemtic Name: sodium 1-oxidanyl-3-phenyl-butane-1-sulfonate Openeye Name: sodium 1-hydroxy-3-phenyl-butane-1-sulfonate CAS Name: sodium 1-hydroxy-3-phenyl-1-butanesulfonate IUPAC Name: sodium 1-hydroxy-3-phenylbutane-1-sulfonate Traditional Name: sodium 1-hydroxy-3-phenyl-butane-1-sulfonate Formula: C10H13NaO4S MolecularWeight: 252.26259

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(O)S(=O)(=O)[O-])C1=CC=CC=C1.[Na+]

Isomeric SMILES

CC(CC(O)S(=O)(=O)[O-])C1=CC=CC=C1.[Na+]

InChI

InChI=1S/C10H14O4S.Na/c1-8(7-10(11)15(12,13)14)9-5-3-2-4-6-9;/h2-6,8,10-11H,7H2,1H3,(H,12,13,14);/q;+1/p-1